| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2009 | 16 | Yes |
Popular Name: 1-[4-[(1S)-3-amino-1-ethyl-propyl]-1,4-diazepan-1-yl]ethanone 1-[4-[(1S)-3-amino-1-ethyl-propy…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.19 | 4.32 | -127.16 | 4 | 4 | 2 | 52 | 229.368 | 4 | ↓ |
| Hi High (pH 8-9.5) | -0.19 | 3.95 | -40.96 | 3 | 4 | 1 | 51 | 228.36 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.19 | 3.06 | -54.33 | 3 | 4 | 1 | 51 | 228.36 | 4 | ↓ |
